SCHEMBL852038

SCHEMBL852038

CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(C(=O)NCC3CCCCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.70
ST14 Q9Y5Y6 6/20 0.70
PRSS1 P07477 5/20 0.70
PRSS2 P07478 5/20 0.70
PRSS3 P35030 5/20 0.70
PLG P00747 3/20 0.70
MMP13 P45452 2/20 0.59
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.43
MLYCD O95822 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MMP2 P08253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL851241 0.84 ST14 (0.69) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851804 0.83 ST14 (1.00) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851441 0.82 F2 (0.78) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851405 0.77 F2 (0.70) F2ST14PRSS1PRSS2PRSS3
SCHEMBL850830 0.77 ST14 (0.69) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851808 0.77 ST14 (0.71) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851470 0.76 ST14 (0.57) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851955 0.74 ST14 (0.55) F2ST14PRSS1PRSS2PRSS3
SCHEMBL3462685 0.74 MMP13 (0.78) F2ST14PRSS1PRSS2PRSS3
SCHEMBL851882 0.73 ST14 (0.54) F2ST14PRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885ST14 216/4885PRSS1 3/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 F2 112/4885ST14 216/4885PRSS1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.